(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

C19H19N3O2S — CID 51641173

IUPAC(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-9-7-8-12-16(13)17-20-21-19(24-17)25-14(2)18(23)22(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyCOKZBVIEVBRHAJ-CQSZACIVSA-N
MW353.45 g/mol
LogP4.19
Rot. Bonds5

About (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide

(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (PubChem CID 51641173) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
PubChem CID51641173
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
SMILESCc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)o1
InChIInChI=1S/C19H19N3O2S/c1-13-9-7-8-12-16(13)17-20-21-19(24-17)25-14(2)18(23)22(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyCOKZBVIEVBRHAJ-CQSZACIVSA-N
XLogP4.19
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The IUPAC name of (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide (CID 51641173) is (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The canonical SMILES for (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)o1.
What is the InChIKey of (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
The InChIKey is COKZBVIEVBRHAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-9-7-8-12-16(13)17-20-21-19(24-17)25-14(2)18(23)22(3)15-10-5-4-6-11-15/h4-12,14H,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide?
(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 51641173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).